(2R)-2-[6-(2-chloranylethanoyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: (2R)-2-[6-(2-chloranylethanoyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2R)-2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2R)-2-[6-(2-chloro-1-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2R)-2-[6-(2-chloroacetyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2R)-2-[6-(2-chloroacetyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl]butyrate Formula: C16H17ClNO5- MolecularWeight: 338.76288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)(C)C

Isomeric SMILES

CC[C@H](C(=O)[O-])N1C2=C(C=CC(=C2)C(=O)CCl)OC(C1=O)(C)C

InChI

InChI=1S/C16H18ClNO5/c1-4-10(14(20)21)18-11-7-9(12(19)8-17)5-6-13(11)23-16(2,3)15(18)22/h5-7,10H,4,8H2,1-3H3,(H,20,21)/p-1/t10-/m1/s1